SCHEMBL23174775

SCHEMBL23174775

CO/C=C/c1cc(C)ccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 2/20 0.43
▸ CCR5 P51681 2/20 0.43
▸ CCR8 P51685 2/20 0.43
▸ UHRF1 Q96T88 1/20 0.43
▸ KDM4E B2RXH2 4/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ NOS3 P29474 1/20 0.41
▸ NOS1 P29475 1/20 0.41
▸ NOS2 P35228 1/20 0.41
▸ PLAU P00749 1/20 0.34
▸ F2R P25116 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ CYP2A6 P11509 1/20 0.33
▸ METAP2 P50579 1/20 0.33
▸ NPC1 O15118 3/20 0.32
▸ RAB9A P51151 3/20 0.32
▸ MAPT P10636 2/20 0.32
▸ HPGD P15428 1/20 0.32
▸ NFKB1 P19838 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29796503 1.00 CCR1 (0.43) CCR1CCR5CCR8UHRF1KDM4E
SCHEMBL23174772 1.00 CCR1 (0.43) CCR1CCR5CCR8UHRF1KDM4E
SCHEMBL23174773 1.00 CCR1 (0.43) CCR1CCR5CCR8UHRF1KDM4E
SCHEMBL29796494 1.00 CCR1 (0.43) CCR1CCR5CCR8UHRF1KDM4E
SCHEMBL23917887 0.78 UHRF1 (0.48) CCR1CCR5CCR8UHRF1KDM4E
SCHEMBL22637043 0.75 CLK4 (0.34) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL4082404 0.74 NPC1 (0.62) KDM4EMEN1KMT2ANPC1RAB9A
SCHEMBL4082402 0.74 NPC1 (0.62) KDM4EMEN1KMT2ANPC1RAB9A
SCHEMBL4098506 0.74 NPC1 (0.62) KDM4EMEN1KMT2ANPC1RAB9A
SCHEMBL1707282 0.73 — —

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230087342-A1 AZEPANE DERIVATIVE NIPPON CHEMIPHAR CO., LTD. (JP) 2023-03-23 — — US disclosed
WO-2022210479-A1 USE OF AZEPANE DERIVATIVE FOR TREATMENT, AMELIORATION OR PREVENTION OF κ-OPIOID RECEPTOR-RELATED DISEASES 日本ケミファ株式会社 2022-10-06 — — WO disclosed
EP-4039331-A1 AZEPAN DERIVATIVE Nippon Chemiphar Co., Ltd. (JP) 2022-08-10 — — EP disclosed
CN-114761082-A Azepane derivatives 日本化学药品株式会社 2022-07-15 — — CN disclosed
WO-2021065898-A1 AZEPAN DERIVATIVE 日本ケミファ株式会社 2021-04-08 — — WO disclosed
WO-2021065898-A1 AZEPAN DERIVATIVE 日本ケミファ株式会社 2021-04-08 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230087342-A1 AZEPANE DERIVATIVE ADCY10, AZI2, PRMT1 CCR1 2181/4885CCR5 2194/4885CCR8 894/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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